2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile

C14H26N2 — CID 60997907

IUPAC2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile
SMILESCCC(C#N)(NC1CCCCCC1)C(C)C
InChIInChI=1S/C14H26N2/c1-4-14(11-15,12(2)3)16-13-9-7-5-6-8-10-13/h12-13,16H,4-10H2,1-3H3
InChIKeyUIJUWSBMULPQIO-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.63
Rot. Bonds4

About 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile

2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile (PubChem CID 60997907) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile
PubChem CID60997907
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile
SMILESCCC(C#N)(NC1CCCCCC1)C(C)C
InChIInChI=1S/C14H26N2/c1-4-14(11-15,12(2)3)16-13-9-7-5-6-8-10-13/h12-13,16H,4-10H2,1-3H3
InChIKeyUIJUWSBMULPQIO-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile?
The IUPAC name of 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile (CID 60997907) is 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile.
What is the SMILES notation for 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile?
The canonical SMILES for 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile is CCC(C#N)(NC1CCCCCC1)C(C)C.
What is the InChIKey of 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile?
The InChIKey is UIJUWSBMULPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-14(11-15,12(2)3)16-13-9-7-5-6-8-10-13/h12-13,16H,4-10H2,1-3H3.
What are the key properties of 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile?
2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-ethyl-3-methylbutanenitrile is sourced from PubChem (CID 60997907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).